1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(4-heptoxyphenoxy)ethanone

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(4-heptoxyphenoxy)ethanone Openeye Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(4-heptoxyphenoxy)ethanone CAS Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-(4-heptoxyphenoxy)ethanone IUPAC Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(4-heptoxyphenoxy)ethanone Traditional Name: 1-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-(4-heptoxyphenoxy)ethanone Formula: C28H39FN2O3 MolecularWeight: 470.619263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OCC(=O)N2CC(N(CC2C)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OCC(=O)N2CC(N(CC2C)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C28H39FN2O3/c1-4-5-6-7-8-17-33-26-13-15-27(16-14-26)34-21-28(32)31-19-22(2)30(18-23(31)3)20-24-9-11-25(29)12-10-24/h9-16,22-23H,4-8,17-21H2,1-3H3